1H-Indole-3-acetic acid, 5-methoxy-2-methyl-1-(2-(4-methylphenyl)-2-oxoethyl)-
Basic information
- CAS
106287-91-6- Standard SMILES
COc1ccc2c(c1)c(CC(=O)O)c(C)n2CC(=O)c1ccc(C)cc1- InChIKey
PZBBUEAPAIYTBN-UHFFFAOYSA-N- Molecular formula
- C21H21NO4
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.14705815
Names & identifiers
- Preferred name
- 1H-Indole-3-acetic acid, 5-methoxy-2-methyl-1-(2-(4-methylphenyl)-2-oxoethyl)-
- IUPAC
- 2-[5-methoxy-2-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]indol-3-yl]acetic acid
- English name
- 1-(4-Methylphenacyl)-2-methyl-5-methoxyindol-3-ylacetic acid
- Molecular formula
- C21H21NO4
- Molecular weight
- 351.4
Names & synonyms
106287-91-6BRN 56254541H-INDOLE-3-ACETIC ACID, 5-METHOXY-2-METHYL-1-(2-(4-METHYLPHENYL)-2-OXOETHYL)-1-(4-Methylphenacyl)-2-methyl-5-methoxyindol-3-ylacetic acidDTXSID801475635-Methoxy-2-methyl-1-(2-(4-methylphenyl)-2-oxoethyl)-1H-indole-3-acetic acidRefChem:239059DTXCID70700542-[5-methoxy-2-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]indol-3-yl]acetic acid{5-methoxy-2-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-1h-indol-3-yl}acetic acidReaxys ID: 56254541H-Indole-3-acetic acid, 5-methoxy-2-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-
Database identifiers
- CAS
106287-91-6- PubChem CID
- 60126
- DTXSID
DTXSID80147563
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 514
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…